methyl 4-(2-amino-4-fluorophenoxy)benzoate

methyl 4-(2-amino-4-fluorophenoxy)benzoate

CAS: 946684-01-1

Formula: C14H12FNO3

SMILES: COC(=O)C1=CC=C(OC2=C(N)C=C(F)C=C2)C=C1

IUPAC: methyl 4-(2-amino-4-fluorophenoxy)benzoate

InChI: InChI=1S/C14H12FNO3/c1-18-14(17)9-2-5-11(6-3-9)19-13-7-4-10(15)8-12(13)16/h2-8H,16H2,1H3

Composition: C (64.36%), H (4.63%), F (7.27%), N (5.36%), O (18.37%)

Molar Mass: 261.252

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.080121413
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZODDNCJKQQPLQG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.24
Topological Polar Surface Area	61.55
Polarizability	25.91
Ring Count	2
Rotatable Bond Count	4

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